Compound Detail
CHEMBL1933279
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Basic Information
| ChEMBL ID | CHEMBL1933279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIICYVHPNFINMO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.91
ALogP
5
HBA
2
HBD
81.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 8.05 | 7.375 | 9.0 | 4 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human RSK2 | 22056746 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of RSK2 phosphorylation by luminescence assay | 22100312 |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 9.0 | nM | 8.05 | Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... | - |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell... | 22056746 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing lucife... | 22100312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 22100312 | 10.1016/j.bmcl.2011.10.030 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | MAP kinase-activated protein kinase 5 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Aurora kinase B | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Aurora kinase A | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Serine/threonine-protein kinase D1 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Platelet-derived growth factor receptor alpha | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | High affinity nerve growth factor receptor | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Serine/threonine-protein kinase Chk2 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Mitogen-activated protein kinase kinase kinase kinase 2 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Vascular endothelial growth factor receptor 2 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Fibroblast growth factor receptor 2 | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 22056746 | 10.1016/j.bmcl.2011.10.029 | Dual specificity protein kinase CLK2 | 1 |
Data from ChEMBL 36 via Core Engine